4,5-DIDEMETHYLSIMMONDSIN

pro_cas
135074-86-1
pro_cdbregno
CCD01020688
pro_formula
C14 H21 N O9
pro_molWeight
347.318

basic_info

Product_Name: 4,5-DIDEMETHYLSIMMONDSIN
CAS: 135074-86-1
EnglishSynonyms: 4,5-DIDEMETHYLSIMMONDSIN ; DIDEMETHYLSIMMONDSIN, 4,5-
pro_mdlNumber: MFCD11113797
pro_acceptors: 10
pro_donors: 7
pro_smile: C1[C@H]([C@H]([C@@H](/C(=C/C#N)/[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O
InChi: InChI=1S/C14H21NO9/c15-2-1-5-7(3-6(17)10(19)9(5)18)23-14-13(22)12(21)11(20)8(4-16)24-14/h1,6-14,16-22H,3-4H2/b5-1+/t6-,7+,8-,9-,10-,11-,12+,13-,14-/m1/s1
InChiKey: InChIKey=MRQYIJOEUFLPMV-KGWFRQTCSA-N

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